4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=18.119878312601866 stress="-2.1062241678566704 -0.38022261013514913 0.5281728982667059 -0.38022261013514913 -3.0669038623189353 0.47943924088561685 0.5281728982667059 0.47943924088561685 -2.8021933775753394" pbc="F T T" Fe 0.22094491 0.23171545 0.18190327 -19.61709649 0.39678699 -6.02136959 Fe 1.32183498 1.71219253 -0.07514625 19.64903211 -18.75994804 12.46811248 Fe 1.62990665 -0.21779550 1.78278197 22.47187525 21.58145297 -18.50401747 Fe 0.06210000 1.70397289 1.32702941 -22.50381087 -3.21829192 12.05727458